B13NWD -OEChem-04022103292D 49 50 0 0 0 0 0 0 0999 V2000 5.4641 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.0084 -0.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 2.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 3.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 2.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 3.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 3.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2120 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 3.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7146 3.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1934 3.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4589 4.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 19 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 7 22 2 0 0 0 0 9 23 2 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 29 1 0 0 0 0 26 40 1 0 0 0 0 27 30 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 31 2 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$